COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994305
Chemical Name: 4-({3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 456.5
Empirical Formula: C21H16N2O6S2

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 3.391
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 162
Number of rings: 4

     

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